5-butoxycarbonyloxypentyl butyl carbonate

C15H28O6 — CID 91694808

IUPAC5-butoxycarbonyloxypentyl butyl carbonate
SMILESCCCCOC(=O)OCCCCCOC(=O)OCCCC
InChIInChI=1S/C15H28O6/c1-3-5-10-18-14(16)20-12-8-7-9-13-21-15(17)19-11-6-4-2/h3-13H2,1-2H3
InChIKeyUCHCOYPRKJLJPV-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.06
Rot. Bonds12

About 5-butoxycarbonyloxypentyl butyl carbonate

5-butoxycarbonyloxypentyl butyl carbonate (PubChem CID 91694808) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-butoxycarbonyloxypentyl butyl carbonate.

Molecular Properties

Compound Name5-butoxycarbonyloxypentyl butyl carbonate
PubChem CID91694808
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name5-butoxycarbonyloxypentyl butyl carbonate
SMILESCCCCOC(=O)OCCCCCOC(=O)OCCCC
InChIInChI=1S/C15H28O6/c1-3-5-10-18-14(16)20-12-8-7-9-13-21-15(17)19-11-6-4-2/h3-13H2,1-2H3
InChIKeyUCHCOYPRKJLJPV-UHFFFAOYSA-N
XLogP4.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
butyl pentyl carbonate
CID 545576
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
magnesium;dibutyl carbonate;hydride
CID 174500135
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507

Frequently Asked Questions

What is the IUPAC name of 5-butoxycarbonyloxypentyl butyl carbonate?
The IUPAC name of 5-butoxycarbonyloxypentyl butyl carbonate (CID 91694808) is 5-butoxycarbonyloxypentyl butyl carbonate.
What is the SMILES notation for 5-butoxycarbonyloxypentyl butyl carbonate?
The canonical SMILES for 5-butoxycarbonyloxypentyl butyl carbonate is CCCCOC(=O)OCCCCCOC(=O)OCCCC.
What is the InChIKey of 5-butoxycarbonyloxypentyl butyl carbonate?
The InChIKey is UCHCOYPRKJLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-3-5-10-18-14(16)20-12-8-7-9-13-21-15(17)19-11-6-4-2/h3-13H2,1-2H3.
What are the key properties of 5-butoxycarbonyloxypentyl butyl carbonate?
5-butoxycarbonyloxypentyl butyl carbonate has a molecular weight of 304.38 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxycarbonyloxypentyl butyl carbonate is sourced from PubChem (CID 91694808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).